#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1mr6 s GLN 2 N 0.00 0.58 -0.01 3.17 -0.21 -1.26 -3.13 119.66 118.79 1mr6 s GLN 2 Ca 0.00 1.44 0.03 0.00 0.02 0.00 0.00 55.36 56.85 1mr6 s GLN 2 Cb 0.00 0.87 -0.00 0.00 1.00 0.00 0.00 33.01 34.88 1mr6 s GLN 2 CO 0.00 -0.20 -0.09 0.00 -2.12 0.00 0.00 175.29 172.88 1mr6 s LYS 4 N -0.08 3.63 -0.64 0.00 -0.14 -1.24 -4.29 119.74 116.99 1mr6 s LYS 4 Ca 0.01 0.82 0.04 0.00 -1.36 0.00 0.00 55.97 55.49 1mr6 s LYS 4 Cb -0.05 -3.98 0.32 0.00 -1.68 0.00 0.00 37.83 32.44 1mr6 s LYS 4 CO -0.00 -1.49 1.00 0.25 -0.76 0.00 0.00 175.35 174.34 1mr6 n THR 5 N 6.98 3.26 0.00 2.17 -2.24 -1.26 -4.23 114.28 118.95 1mr6 n THR 5 Ca 0.15 -5.56 0.00 0.00 -2.27 0.00 0.00 64.05 56.37 1mr6 n THR 5 Cb 0.48 -1.56 0.00 0.00 -2.10 0.00 0.00 70.33 67.16 1mr6 n THR 5 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1mr6 n SER 7 N 0.00 0.00 -4.02 0.00 2.88 -1.26 -4.30 113.62 106.92 1mr6 n SER 7 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1mr6 n SER 7 Cb 0.00 0.00 0.24 0.00 -0.75 0.00 0.00 64.21 63.70 1mr6 n SER 7 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 1mr6 s PHE 8 N -1.00 0.71 -0.32 0.66 0.40 -1.26 -4.68 117.98 112.48 1mr6 s PHE 8 Ca 0.00 0.71 0.19 0.00 -0.60 0.00 0.00 56.93 57.23 1mr6 s PHE 8 Cb 0.00 -3.23 1.02 0.00 0.51 0.00 0.00 43.02 41.31 1mr6 s PHE 8 CO 0.00 -3.94 1.59 0.98 0.70 0.00 0.00 175.22 174.54 1mr6 n TYR 9 N -4.87 0.65 -3.59 0.36 9.36 -1.26 -4.68 117.16 113.13 1mr6 n TYR 9 Ca 0.10 0.33 -0.11 0.00 3.32 0.00 0.00 57.90 61.54 1mr6 n TYR 9 Cb 0.58 -1.03 -0.05 0.00 -0.63 0.00 0.00 39.34 38.21 1mr6 n TYR 9 CO 0.00 0.00 0.00 -0.08 0.22 0.00 0.00 176.86 177.00 1mr6 s THR 10 N -3.46 0.00 -0.03 2.97 -1.32 -1.26 -4.98 115.64 107.56 1mr6 s THR 10 Ca -0.01 0.00 -0.01 0.00 -1.21 0.00 0.00 61.69 60.46 1mr6 s THR 10 Cb 0.06 -1.00 0.03 0.00 -1.51 0.00 0.00 72.50 70.08 1mr6 s THR 10 CO 0.19 0.00 0.04 0.00 -2.21 0.00 0.00 174.62 172.65 1mr6 n PRO 12 N 4.60 0.11 -1.16 0.00 -0.04 -1.26 -4.77 135.00 132.49 1mr6 n PRO 12 Ca -0.19 0.19 -0.17 0.00 -0.04 0.00 0.00 63.50 63.29 1mr6 n PRO 12 Cb 0.50 -1.66 0.12 0.00 -0.04 0.00 0.00 33.50 32.42 1mr6 n PRO 12 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1mr6 n ASN 13 N -1.87 0.08 -4.33 3.54 4.13 -1.26 -5.10 115.26 110.45 1mr6 n ASN 13 Ca 0.05 -1.30 -0.17 0.00 1.68 0.00 0.00 54.58 54.84 1mr6 n ASN 13 Cb 0.31 -0.60 -0.10 0.00 -1.54 0.00 0.00 39.78 37.85 1mr6 n ASN 13 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 1mr6 s SER 14 N -3.89 1.64 -0.30 6.41 0.01 -1.26 -5.01 113.70 111.30 1mr6 s SER 14 Ca 0.45 -1.28 -0.08 0.00 1.31 0.00 0.00 55.95 56.35 1mr6 s SER 14 Cb -0.01 0.06 0.15 0.00 0.21 0.00 0.00 66.02 66.42 1mr6 s SER 14 CO 0.31 -0.60 0.65 -0.70 0.41 0.00 0.00 173.24 173.32 1mr6 s GLU 15 N -3.92 0.56 0.82 12.44 2.12 -1.26 -4.96 118.70 124.49 1mr6 s GLU 15 Ca 0.32 1.30 -0.11 0.00 0.36 0.00 0.00 54.97 56.83 1mr6 s GLU 15 Cb 0.07 0.77 0.08 0.00 0.26 0.00 0.00 34.13 35.31 1mr6 s GLU 15 CO 0.10 -0.32 1.09 0.99 -0.54 0.00 0.00 175.26 176.59 1mr6 s THR 16 N 2.87 3.01 0.06 -1.70 2.01 -1.26 -1.83 115.64 118.80 1mr6 s THR 16 Ca 0.02 0.33 -0.04 0.00 0.31 0.00 0.00 61.69 62.30 1mr6 s THR 16 Cb -0.13 -3.01 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1mr6 s THR 16 CO -0.19 -0.43 0.28 0.00 -0.69 0.00 0.00 174.62 173.58 1mr6 s PRO 18 N -2.18 2.86 1.47 0.00 0.04 -1.26 -4.78 135.00 131.15 1mr6 s PRO 18 Ca 0.33 0.60 0.00 0.00 0.04 0.00 0.00 61.00 61.97 1mr6 s PRO 18 Cb -0.13 -2.01 0.00 0.00 0.04 0.00 0.00 34.50 32.40 1mr6 s PRO 18 CO 0.21 -1.07 0.00 -0.25 0.04 0.00 0.00 177.00 175.94 1mr6 n ASP 19 N -3.05 -3.56 -2.69 6.66 8.00 -1.26 -3.17 116.55 117.48 1mr6 n ASP 19 Ca 0.07 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.28 1mr6 n ASP 19 Cb 0.56 0.00 -0.05 0.00 -0.02 0.00 0.00 41.12 41.61 1mr6 n ASP 19 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1mr6 n GLY 20 N 0.00 4.44 0.00 0.44 0.00 -1.26 -4.87 105.19 103.94 1mr6 n GLY 20 Ca 0.00 -1.87 0.00 0.00 0.00 0.00 0.00 46.02 44.15 1mr6 n GLY 20 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1mr6 n LYS 21 N 1.23 1.01 -0.03 1.61 4.81 -1.19 -5.02 118.16 120.57 1mr6 n LYS 21 Ca 0.52 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.96 1mr6 n LYS 21 Cb 0.51 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.56 1mr6 n LYS 21 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1mr6 n ASN 22 N 0.00 0.00 -3.76 3.14 3.02 -1.24 -4.57 115.26 111.85 1mr6 n ASN 22 Ca 0.00 -0.26 -0.09 0.00 -0.03 0.00 0.00 54.58 54.19 1mr6 n ASN 22 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1mr6 n ASN 22 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1mr6 s ILE 23 N 0.00 0.00 -0.41 2.41 1.01 0.13 -4.53 121.20 119.80 1mr6 s ILE 23 Ca 0.00 -1.27 0.04 0.00 0.00 0.00 0.00 60.65 59.41 1mr6 s ILE 23 Cb 0.00 -2.28 0.11 0.00 0.01 0.00 0.00 42.46 40.31 1mr6 s ILE 23 CO 0.00 0.00 0.14 0.00 0.00 0.00 0.00 174.94 175.08 1mr6 s VAL 25 N 0.44 5.03 0.69 0.00 -7.23 -0.05 -2.17 120.40 117.11 1mr6 s VAL 25 Ca 0.14 -0.12 -0.04 0.00 -1.81 0.00 0.00 61.98 60.15 1mr6 s VAL 25 Cb -0.22 -4.05 0.09 0.00 0.56 0.00 0.00 36.38 32.76 1mr6 s VAL 25 CO -0.05 -0.40 0.98 -0.75 -0.31 0.00 0.00 175.10 174.56 1mr6 s LYS 26 N 2.31 1.98 -0.02 4.82 2.20 -1.01 -2.15 119.74 127.88 1mr6 s LYS 26 Ca 0.15 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 55.07 1mr6 s LYS 26 Cb -0.16 -2.27 0.01 0.00 -1.51 0.00 0.00 37.83 33.90 1mr6 s LYS 26 CO 0.15 -1.28 0.07 1.03 -0.36 0.00 0.00 175.35 174.96 1mr6 s ARG 27 N -5.15 0.13 -0.21 4.03 3.00 -0.27 -2.85 118.95 117.62 1mr6 s ARG 27 Ca 0.63 0.03 -0.08 0.00 0.00 0.00 0.00 55.73 56.31 1mr6 s ARG 27 Cb -0.08 0.06 0.09 0.00 0.00 0.00 0.00 34.95 35.01 1mr6 s ARG 27 CO 0.44 -0.02 0.45 -1.54 0.00 0.00 0.00 175.30 174.62 1mr6 s SER 28 N -0.14 -0.38 0.17 0.23 1.04 -0.90 -1.01 113.70 112.71 1mr6 s SER 28 Ca -0.02 1.05 0.05 0.00 0.48 0.00 0.00 55.95 57.51 1mr6 s SER 28 Cb -0.02 1.38 -0.05 0.00 0.10 0.00 0.00 66.02 67.44 1mr6 s SER 28 CO 0.00 -0.23 -0.09 -1.66 0.98 0.00 0.00 173.24 172.24 1mr6 s TRP 29 N 2.49 1.36 -0.33 5.02 -2.14 -1.05 -1.47 118.94 122.81 1mr6 s TRP 29 Ca -0.03 -0.76 -0.21 0.00 2.66 0.00 0.00 56.10 57.76 1mr6 s TRP 29 Cb -0.11 -0.70 -0.00 0.00 -3.10 0.00 0.00 33.47 29.56 1mr6 s TRP 29 CO -0.13 0.10 0.67 0.95 -2.66 0.00 0.00 176.95 175.88 1mr6 s THR 30 N -3.30 4.87 0.00 0.66 -4.23 -1.26 -1.55 115.64 110.83 1mr6 s THR 30 Ca 0.19 0.79 0.00 0.00 -1.18 0.00 0.00 61.69 61.49 1mr6 s THR 30 Cb 0.03 -4.08 0.00 0.00 1.34 0.00 0.00 72.50 69.79 1mr6 s THR 30 CO 0.02 -0.27 0.00 0.00 -0.54 0.00 0.00 174.62 173.84 1mr6 n ALA 31 N 6.07 0.00 0.04 3.99 0.00 -1.00 -4.57 120.51 125.04 1mr6 n ALA 31 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.22 1mr6 n ALA 31 Cb 0.49 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.79 1mr6 n ALA 31 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1mr6 h VAL 32 N 0.00 0.88 0.00 0.00 2.07 -1.78 -3.37 116.25 114.06 1mr6 h VAL 32 Ca 0.00 -2.43 0.00 0.00 0.82 0.00 0.00 66.70 65.09 1mr6 h VAL 32 Cb 0.00 2.68 0.00 0.00 -1.52 0.00 0.00 31.29 32.45 1mr6 h VAL 32 CO 0.00 0.82 -0.49 0.54 0.02 0.00 0.00 177.57 178.46 1mr6 n ARG 33 N -3.67 0.65 0.00 1.57 3.00 -1.26 -4.96 116.66 111.99 1mr6 n ARG 33 Ca -0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 57.57 1mr6 n ARG 33 Cb 1.02 -0.74 0.00 0.00 0.00 0.00 0.00 32.46 32.73 1mr6 n ARG 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1mr6 n GLY 34 N 2.22 0.03 0.28 -0.13 0.00 -1.26 -4.96 105.19 101.38 1mr6 n GLY 34 Ca 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1mr6 n GLY 34 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1mr6 n ASP 35 N -1.76 0.00 -4.14 1.61 -0.08 -1.26 -4.82 116.55 106.10 1mr6 n ASP 35 Ca 0.00 -1.26 -0.30 0.00 -1.51 0.00 0.00 54.79 51.73 1mr6 n ASP 35 Cb 0.00 -0.05 0.21 0.00 2.34 0.00 0.00 41.12 43.62 1mr6 n ASP 35 CO 0.00 0.00 0.00 -0.83 0.12 0.00 0.00 177.20 176.49 1mr6 s GLY 36 N -0.26 1.59 -0.62 0.27 0.00 -1.26 -4.76 107.32 102.28 1mr6 s GLY 36 Ca 0.00 -0.79 -0.28 0.00 0.00 0.00 0.00 44.72 43.66 1mr6 s GLY 36 CO 0.00 -0.00 1.27 2.56 0.00 0.00 0.00 173.10 176.92 1mr6 s PRO 37 N -5.31 3.38 0.00 2.90 0.04 -1.26 -2.37 135.00 132.37 1mr6 s PRO 37 Ca 0.69 0.16 0.00 0.00 0.04 0.00 0.00 61.00 61.89 1mr6 s PRO 37 Cb -0.12 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.34 1mr6 s PRO 37 CO 0.56 -1.87 0.00 1.63 0.04 0.00 0.00 177.00 177.36 1mr6 n LYS 38 N 8.75 0.00 -3.18 4.56 4.76 -1.26 -4.59 118.16 127.20 1mr6 n LYS 38 Ca 0.08 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.54 1mr6 n LYS 38 Cb 0.49 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.68 1mr6 n LYS 38 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1mr6 s ARG 39 N 1.31 0.69 -0.25 1.97 3.52 -1.25 -3.05 118.95 121.88 1mr6 s ARG 39 Ca 0.00 0.08 -0.18 0.00 -0.13 0.00 0.00 55.73 55.50 1mr6 s ARG 39 Cb 0.00 0.16 -0.03 0.00 -1.56 0.00 0.00 34.95 33.52 1mr6 s ARG 39 CO 0.00 -1.10 0.51 -1.21 -0.81 0.00 0.00 175.30 172.68 1mr6 s GLU 40 N 2.27 4.08 0.56 5.12 0.41 -0.60 -4.86 118.70 125.69 1mr6 s GLU 40 Ca 0.14 0.32 0.06 0.00 -0.41 0.00 0.00 54.97 55.07 1mr6 s GLU 40 Cb -0.06 -3.64 0.05 0.00 -1.78 0.00 0.00 34.13 28.70 1mr6 s GLU 40 CO -0.15 -0.32 0.47 0.96 -0.49 0.00 0.00 175.26 175.73 1mr6 s ILE 41 N 2.22 1.62 0.12 -1.63 -4.36 -1.26 -2.53 121.20 115.39 1mr6 s ILE 41 Ca 0.21 -1.42 -0.26 0.00 -0.26 0.00 0.00 60.65 58.92 1mr6 s ILE 41 Cb -0.16 -2.04 0.08 0.00 1.25 0.00 0.00 42.46 41.59 1mr6 s ILE 41 CO 0.09 0.00 1.03 -0.60 0.24 0.00 0.00 174.94 175.70 1mr6 s ARG 42 N -4.37 1.05 -0.02 0.37 3.52 -0.18 -4.95 118.95 114.38 1mr6 s ARG 42 Ca 0.37 -0.59 -0.07 0.00 -0.13 0.00 0.00 55.73 55.31 1mr6 s ARG 42 Cb -0.03 0.35 0.01 0.00 -1.56 0.00 0.00 34.95 33.72 1mr6 s ARG 42 CO 0.23 -0.48 0.15 -0.98 -0.81 0.00 0.00 175.30 173.41 1mr6 s ARG 43 N -3.02 0.37 0.02 5.12 3.03 -1.26 -1.11 118.95 122.09 1mr6 s ARG 43 Ca 0.14 -0.15 -0.20 0.00 2.03 0.00 0.00 55.73 57.54 1mr6 s ARG 43 Cb -0.00 0.16 0.04 0.00 -1.03 0.00 0.00 34.95 34.12 1mr6 s ARG 43 CO 0.01 -0.08 0.46 -1.21 -1.13 0.00 0.00 175.30 173.35 1mr6 s GLU 44 N -0.81 0.92 0.29 3.89 0.41 -0.91 -4.78 118.70 117.71 1mr6 s GLU 44 Ca -0.09 -0.22 -0.12 0.00 -0.41 0.00 0.00 54.97 54.13 1mr6 s GLU 44 Cb -0.05 0.42 -0.08 0.00 -1.78 0.00 0.00 34.13 32.64 1mr6 s GLU 44 CO 0.01 -0.31 0.65 0.00 -0.49 0.00 0.00 175.26 175.13 1mr6 s ALA 46 N -1.93 -1.46 -0.62 0.00 0.00 -0.83 -4.83 121.76 112.08 1mr6 s ALA 46 Ca 0.51 0.05 0.16 0.00 0.00 0.00 0.00 51.96 52.68 1mr6 s ALA 46 Cb -0.11 0.76 0.78 0.00 0.00 0.00 0.00 23.12 24.55 1mr6 s ALA 46 CO 0.20 -0.97 1.70 0.00 0.00 0.00 0.00 175.76 176.68 1mr6 n ALA 47 N -0.43 3.57 -3.04 0.00 0.00 -1.26 -0.69 120.51 118.65 1mr6 n ALA 47 Ca -0.07 -1.77 0.00 0.00 0.00 0.00 0.00 53.44 51.60 1mr6 n ALA 47 Cb 0.61 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1mr6 n ALA 47 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1mr6 n THR 48 N 0.84 0.00 0.00 0.00 -1.04 -1.26 -4.97 114.28 107.84 1mr6 n THR 48 Ca 0.27 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.28 1mr6 n THR 48 Cb 1.07 -0.49 0.00 0.00 -1.82 0.00 0.00 70.33 69.09 1mr6 n THR 48 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1mr6 s PRO 50 N 0.00 4.27 -0.11 0.00 0.04 -1.26 -4.93 135.00 133.01 1mr6 s PRO 50 Ca 0.00 1.09 -0.25 0.00 0.04 0.00 0.00 61.00 61.88 1mr6 s PRO 50 Cb 0.00 -2.36 -0.28 0.00 0.04 0.00 0.00 34.50 31.90 1mr6 s PRO 50 CO 0.00 0.07 0.77 -1.00 0.04 0.00 0.00 177.00 176.88 1mr6 h PRO 51 N 2.27 0.12 -3.43 0.56 0.13 -1.99 -3.40 132.00 126.25 1mr6 h PRO 51 Ca -0.48 -0.21 -0.08 0.00 -0.87 0.00 0.00 66.00 64.36 1mr6 h PRO 51 Cb 1.18 0.08 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 1mr6 h PRO 51 CO 0.63 1.10 -0.23 -1.12 -0.23 0.00 0.00 178.00 178.15 1mr6 s SER 52 N -6.57 -0.10 0.00 1.44 0.01 -1.26 -3.91 113.70 103.31 1mr6 s SER 52 Ca -0.18 -0.32 0.00 0.00 1.31 0.00 0.00 55.95 56.76 1mr6 s SER 52 Cb -0.01 0.39 0.00 0.00 0.21 0.00 0.00 66.02 66.61 1mr6 s SER 52 CO 0.74 -0.71 0.00 0.29 0.41 0.00 0.00 173.24 173.97 1mr6 n LYS 53 N 0.22 0.26 0.00 12.44 5.02 -1.07 -4.95 118.16 130.07 1mr6 n LYS 53 Ca -0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.12 1mr6 n LYS 53 Cb 0.61 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.62 1mr6 n LYS 53 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 1mr6 n LEU 54 N 0.00 0.00 -1.30 -0.35 -0.00 -1.26 -4.09 117.00 110.00 1mr6 n LEU 54 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 55.96 1mr6 n LEU 54 Cb 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 43.42 43.54 1mr6 n LEU 54 CO 0.00 0.00 0.25 0.61 -0.00 0.00 0.00 177.39 178.25 1mr6 n GLY 55 N 0.00 4.97 3.10 1.47 0.00 -1.26 -5.02 105.19 108.46 1mr6 n GLY 55 Ca 0.00 -1.71 -0.24 0.00 0.00 0.00 0.00 46.02 44.07 1mr6 n GLY 55 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1mr6 s LEU 56 N -3.09 1.92 -0.09 0.99 2.96 -1.26 -4.37 118.68 115.74 1mr6 s LEU 56 Ca 0.41 -0.29 -0.18 0.00 -0.22 0.00 0.00 54.13 53.85 1mr6 s LEU 56 Cb 0.38 -0.83 -0.04 0.00 0.50 0.00 0.00 46.19 46.20 1mr6 s LEU 56 CO -0.04 0.15 0.48 -0.89 -1.32 0.00 0.00 176.35 174.73 1mr6 s THR 57 N -0.06 5.15 -0.03 3.68 2.01 -0.54 -2.60 115.64 123.24 1mr6 s THR 57 Ca -0.00 0.97 -0.03 0.00 0.31 0.00 0.00 61.69 62.93 1mr6 s THR 57 Cb -0.09 -3.82 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1mr6 s THR 57 CO 0.01 0.36 0.16 -0.69 -0.69 0.00 0.00 174.62 173.77 1mr6 s VAL 58 N 0.37 5.37 -0.51 3.82 1.01 -1.25 -2.13 120.40 127.08 1mr6 s VAL 58 Ca 0.26 -0.11 0.04 0.00 0.00 0.00 0.00 61.98 62.17 1mr6 s VAL 58 Cb -0.16 -3.47 0.16 0.00 0.00 0.00 0.00 36.38 32.92 1mr6 s VAL 58 CO 0.11 0.39 0.35 0.12 0.00 0.00 0.00 175.10 176.08 1mr6 s PHE 59 N -1.24 2.08 0.32 5.22 5.36 -1.13 -4.80 117.98 123.79 1mr6 s PHE 59 Ca 0.24 -2.64 -0.26 0.00 -0.96 0.00 0.00 56.93 53.31 1mr6 s PHE 59 Cb -0.12 -1.74 -0.10 0.00 -0.34 0.00 0.00 43.02 40.72 1mr6 s PHE 59 CO 0.15 -0.73 0.94 0.00 -1.46 0.00 0.00 175.22 174.12 1mr6 n THR 62 N 5.04 5.06 -3.82 0.00 -2.24 -1.26 -2.64 114.28 114.42 1mr6 n THR 62 Ca -0.09 -4.81 -0.02 0.00 -2.27 0.00 0.00 64.05 56.86 1mr6 n THR 62 Cb 0.49 -2.11 0.01 0.00 -2.10 0.00 0.00 70.33 66.62 1mr6 n THR 62 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1mr6 s THR 63 N -1.28 0.00 1.02 4.28 -1.32 -1.26 -5.09 115.64 111.99 1mr6 s THR 63 Ca 0.44 -0.50 -0.14 0.00 -1.21 0.00 0.00 61.69 60.28 1mr6 s THR 63 Cb 0.13 -2.54 0.17 0.00 -1.51 0.00 0.00 72.50 68.76 1mr6 s THR 63 CO -0.03 0.00 0.32 -0.90 -2.21 0.00 0.00 174.62 171.80 1mr6 n ASP 64 N -0.91 -3.02 -1.94 8.08 5.68 -1.14 -4.29 116.55 119.01 1mr6 n ASP 64 Ca -0.04 -0.39 -0.20 0.00 -0.50 0.00 0.00 54.79 53.66 1mr6 n ASP 64 Cb 0.60 -0.77 -0.06 0.00 -1.14 0.00 0.00 41.12 39.74 1mr6 n ASP 64 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 1mr6 n ASN 65 N -1.36 0.17 -0.01 -1.12 0.23 0.44 -4.53 115.26 109.09 1mr6 n ASN 65 Ca 0.06 0.13 -0.03 0.00 -0.53 0.00 0.00 54.58 54.21 1mr6 n ASN 65 Cb 0.36 -0.40 -0.01 0.00 -2.08 0.00 0.00 39.78 37.65 1mr6 n ASN 65 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1mr6 n ASN 67 N -3.47 -0.29 -0.53 0.00 5.03 -1.26 -4.83 115.26 109.90 1mr6 n ASN 67 Ca -0.04 -0.66 0.14 0.00 0.87 0.00 0.00 54.58 54.89 1mr6 n ASN 67 Cb 0.15 -0.90 0.48 0.00 -1.02 0.00 0.00 39.78 38.50 1mr6 n ASN 67 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43